| SpectraBase Spectrum ID |
FwXVOK6Cj1Q |
| Name |
3-(2-Hydroxyphenyl)propionic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
495-78-3 |
| ChEBI ID |
16104 |
| Comments |
100 mM 3-(2-Hydroxyphenyl)propionic acid - Sigma-Aldrich
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C9 H10 O3 |
| IUPAC Name |
3-(2-hydroxyphenyl)propanoic acid; 3-(2-hydroxyphenyl)propionic acid |
| InChI |
InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12) |
| InChIKey |
CJBDUOMQLFKVQC-UHFFFAOYSA-N |
| KEGG Compound ID |
C01198 |
| KEGG Pathways |
PATH: ko00360 Phenylalanine metabolism
PATH: ko00628 Fluorene degradation |
| PubChem Compound ID |
873 |
| SMILES |
C1=CC=C(C(=C1)CCC(=O)O)O |
| Source File Reference |
bmse000331 |
